8017-9125 Screening compound: N-{3-[N-methyl-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide

8017-9125 Screening compound: N-{3-[N-methyl-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide
8017-9125 Screening compound: N-{3-[N-methyl-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9125
N-{3-[N-methyl-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8017-9125

Molecular Formula

C23H26N4O5 (C23 H26 N4 O5)

Compound Name

N-{3-[N-methyl-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide

IUPAC name

N-{3-[N-methyl-3-(2-oxo-23-dihydro-13-benzoxazol-3-yl)propanamido]propyl}-N'-(4-methylphenyl)ethanediamide

SMILES

Cc(cc1)ccc1NC(C(NCCCN(C)C(CCN(c(cccc1)c1O1)C1=O)=O)=O)=O

InChI

InChI=1S/C23H26N4O5/c1-16-8-10-17(11-9-16)25-22(30)21(29)24-13-5-14-26(2)20(28)12-15-27-18-6-3-4-7-19(18)32-23(27)31/h3-4,6-11H,5,12-15H2,1-2H3,(H,24,29)(H,25,30)

InChI Key

VWZOHFKSLKXVDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.498

Distribution Coefficient, logD

1.377

Water Solubility, LogSw

-2.11

Polar Surface Area

86.808

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with 8017-9125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9125?
Check Price and Availability of 8017-9125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8017-9125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9125
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8017-9125 available by request